2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde

C8H10N2O — CID 174050696

IUPAC2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde
SMILESNCc1ccncc1CC=O
InChIInChI=1S/C8H10N2O/c9-5-7-1-3-10-6-8(7)2-4-11/h1,3-4,6H,2,5,9H2
InChIKeyCBNVATCMTNVVDB-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.28
Rot. Bonds3

About 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde

2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde (PubChem CID 174050696) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde
PubChem CID174050696
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde
SMILESNCc1ccncc1CC=O
InChIInChI=1S/C8H10N2O/c9-5-7-1-3-10-6-8(7)2-4-11/h1,3-4,6H,2,5,9H2
InChIKeyCBNVATCMTNVVDB-UHFFFAOYSA-N
XLogP0.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
2-(3-fluoro-4-pyridinyl)acetaldehyde
CID 87110960
2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
(3-bromo-4-pyridinyl)methanamine;dihydrochloride
CID 119081459
4-(aminomethyl)pyridin-3-ol
CID 15850356
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
2-pyridin-4-ylacetaldehyde
CID 18688704
(4-methylsulfonyl-3-pyridinyl)methanamine
CID 129011162
4-(aminomethyl)-N-methylpyridin-3-amine
CID 11182637
3,4-diethylpyridine;ethane
CID 90914060
4-prop-2-enylpyridine-3-carbaldehyde
CID 11309589
[4-(2-methylbutan-2-yloxy)-3-pyridinyl]methanamine
CID 81253366

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde?
The IUPAC name of 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde (CID 174050696) is 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde is NCc1ccncc1CC=O.
What is the InChIKey of 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde?
The InChIKey is CBNVATCMTNVVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-5-7-1-3-10-6-8(7)2-4-11/h1,3-4,6H,2,5,9H2.
What are the key properties of 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde?
2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3-pyridinyl]acetaldehyde is sourced from PubChem (CID 174050696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).